Data Set associated with the publication 'Signatures of Chiral Phonons in MnPS3 from first principles'
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资源简介：
DFT_mnps3.tar.gz contains the data used for DFT calculations using Quantum Espresso e.g. structure, pseudo-potential and the band.yaml file storing the phonon calculation results with PHONOPY . DFT_U_mnps3.tar.gz contains the same using DFT+U band_dos_dft_U_soc_MnPS3.tar.gz contains the density of states and band data plotted in Fig. 2
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Zenodo创建时间：
2026-02-11
